Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | GNEIADSTVSLVKFIKPDPDAIFSSTCFGDTVSSDPAFSIPIKQESCKNTCSSALFKGSQSANPFPFMDGSYFAFMDDKDYYSLSGILGPPVSSFGDGFEGNGFSNQSLNVAIKQETEDSSFYPENNMPSSAIVGVNSCGQSFHYRIGAQGTISLSRPLNRDQSFQNLSSFPPMSSLVESWKTQSELAQNTLSSRRNDGFPVPGYIPENMSSTTLRSMSTGPSRPSKVCLVCGDEASGCHYGVVTCGSCKVFFKRAVEGKCSRQHSYLCAGRNDCIIDKIRRKNCPACRLQKCLQAGMNLGARKSKKLGKLKGVHEEHPQQPLQQTPTASPKEDTTLTSSSKEPSANSNSLVPLISAVSPAITLSAAVILENIEPEIVYAGYDNTQPDTAENLLSSLNQLAGKQMVQVVKWAKVIPGFRNLPLEDQITLIQYSWMCLSSFALSWRSYKHASSQFLYFAPDLIFNEERMRQSAMYDLCQGMQQISLEFSRLQLTFEEYTLMKVLLLLSTVPKDGLKCQAAFEEMRVNYIKELRKVLLKSPHNSGQSWQRYFQLTKLLDSMQDLVGDLLEFCFYTFRESQALKVEFPAMLVEIISDQLPKVESGIAKPLYFHRK |
3MNE Chain:A ((4-261)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MVPAALPQLTPTLVSLLEVIEPEVLYAG-----PDSAWRIMTTLNMLGGRQVIAAVKWAKAIPGFRNLHLDDQMTLLQYSWMSLMAFALGWRSYRQASGNLLCFAPDLIINEQRMTLPCMYDQCKHMLFISTELQRLQVSYEEYLCMKTLLLLSSVPKEGLKSQELFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHDVVENLLSYCFQTFLD-KSMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MNE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -173798 for 1933 contacts (-89.9/contact) +
2D Compatibility (PS) -27075 + (NN) -14857 + (LL) 13404
1D Compatibility (HY) -31600 + (ID) 7050
Total energy: -240976.0 ( -124.66 by residue)
QMean score : 0.583
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